SCHEMBL486688

SCHEMBL486688

O=C1CCNC(CCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.46
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL486706 0.98 PLG (0.45) PLGPOLBHTR2AHTR2C
SCHEMBL27421597 0.83 PLG (0.42) PLGCYP3A4
SCHEMBL3068478 0.83 POLB (0.53) PLGPOLB
Succinic Acid SCHEMBL9425597 0.76 POLB (0.45) PLGPOLB
Succinic Acid SCHEMBL9425281 0.76 POLB (0.45) PLGPOLB
Succinic Acid SCHEMBL9425252 0.76 POLB (0.45) PLGPOLB
Succinic Acid SCHEMBL9426818 0.75 POLB (0.44) PLGPOLB
SCHEMBL4768930 0.74 CYP3A4 (0.40) PLGCYP3A4
SCHEMBL7366091 0.74 POLB (0.58) PLGPOLBCYP3A4
SCHEMBL4054752 0.73 GLB1 (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812391-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES Boehringer Ingelheim Chemicals, Inc. (US) 2007-08-01 EP claimed
WO-2006055321-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2006-05-26 WO claimed
CN-104254527-B The quinoline of antibacterial 詹森药业有限公司 2017-05-31 CN disclosed
EP-2410854-B1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-06-29 EP disclosed
US-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 US disclosed
EP-2410854-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-02-01 EP disclosed
WO-2010109299-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO [4,5] DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-30 WO disclosed
CN-100415716-C 1-(1,2-disubstituted piperidyl)-4-substituted diethylenediamine derivative JANSSEN PHARMACENTIC N V (BE) 2008-09-03 CN disclosed
EP-1812391-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES Boehringer Ingelheim Chemicals, Inc. (US) 2007-08-01 EP disclosed
WO-2006055321-A2 PROCESS OF MAKING FENTANYL INTERMEDIATES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2006-05-26 WO disclosed
CN-1438220-A 1-(1,2-disubstituted piperidyl)-4-substituted diethylenediamine derivative JANSSEN PHARMACENTIC N V (BE) 2003-08-27 CN disclosed
CN-1117744-C 1- (1, 2-disubstituted piperidinyl) -4-substituted piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 CN disclosed
CN-1205699-A 1- (1, 2-disubstituted piperidinyl) -4-substituted piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 1999-01-20 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF CYP4X1, CYP51A1, CYP1A1 PLG 4769/4885POLB 4408/4885CYP3A4 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.